butyl (1E)-N-[4-cyano-2-methyl-5-(1-methyl-5-nitro-imidazol-2-yl)pyrazol-3-yl]methanimidate

Systemtic Name: butyl (1E)-N-[4-cyano-2-methyl-5-(1-methyl-5-nitro-imidazol-2-yl)pyrazol-3-yl]methanimidate Openeye Name: butyl (1E)-N-[4-cyano-2-methyl-5-(1-methyl-5-nitro-imidazol-2-yl)pyrazol-3-yl]methanimidate CAS Name: (1E)-N-[4-cyano-2-methyl-5-(1-methyl-5-nitro-2-imidazolyl)-3-pyrazolyl]methanimidic acid butyl ester IUPAC Name: butyl (1E)-N-[4-cyano-2-methyl-5-(1-methyl-5-nitroimidazol-2-yl)pyrazol-3-yl]methanimidate Traditional Name: (1E)-N-[4-cyano-2-methyl-5-(1-methyl-5-nitro-imidazol-2-yl)pyrazol-3-yl]formimidic acid butyl ester Formula: C14H17N7O3 MolecularWeight: 331.32988

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Descriptors Computed from Structure

Canonical SMILES:

CCCCOC=NC1=C(C(=NN1C)C2=NC=C(N2C)[N+](=O)[O-])C#N

Isomeric SMILES

CCCCO/C=N/C1=C(C(=NN1C)C2=NC=C(N2C)[N+](=O)[O-])C#N

InChI

InChI=1S/C14H17N7O3/c1-4-5-6-24-9-17-13-10(7-15)12(18-20(13)3)14-16-8-11(19(14)2)21(22)23/h8-9H,4-6H2,1-3H3/b17-9+